Registration Dossier
Registration Dossier
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EC number: 204-111-7 | CAS number: 115-84-4
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- 2014
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- The vapour pressure was assumed to be very low since the boiling point is 264 °C (experimentally determined). There is a great difficulty in the experimental determination of such low vapour pressures due to the uncertainty of pressure determination. We do not have the appropriate equipment to perform an experimental vapour pressure determination and we have not been successful in finding a contract laboratory that can either. The estimation methods SPARC and MPBPWIN were chosen for the prediction of vapour pressure since they both are applicable for organic solids and have a good accuracy. The vapour pressure has been calculated with two different calculation programs. According to “Endpoint specific guidance R.7.1.5.3” SPARC and MPBPWIN are recommended as calculation programs for vapour pressure.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Report date:
- 2014
Materials and methods
- Principles of method if other than guideline:
- Calculation method
- GLP compliance:
- no
- Type of method:
- other: calculation
Test material
- Reference substance name:
- 2-butyl-2-ethylpropanediol
- EC Number:
- 204-111-7
- EC Name:
- 2-butyl-2-ethylpropanediol
- Cas Number:
- 115-84-4
- Molecular formula:
- C9H20O2
- IUPAC Name:
- 2-butyl-2-ethylpropane-1,3-diol
Constituent 1
Results and discussion
Vapour pressureopen allclose all
- Temp.:
- 25 °C
- Vapour pressure:
- 0.08 Pa
- Remarks on result:
- other: Calculation method SPARC
- Temp.:
- 25 °C
- Vapour pressure:
- 0.086 Pa
- Remarks on result:
- other: Calculation method MPBPWIN (v1.43) Modified Grain method
Any other information on results incl. tables
|
Vapour pressure (Pa) @ 25°C |
SPARC |
0.0795 |
MPBPWIN v1.43 (Modified Grain method) |
0.0856 |
Applicant's summary and conclusion
- Conclusions:
- Value: 0.08 Pa at 25 ºC
Method: Calculation method SPARC and MPBPWIN (v1.43) Modified Grain method - Executive summary:
Vapour pressure: 0.08 Pa at 25 °C using SPARC and MPBPWIN calculation methods.
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